CID 394916

Nsc699009

Structural Information

Molecular Formula
C11H14ClNO2S3
SMILES
CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H14ClNO2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
BAVMTXFKKCMJJS-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfonyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.98752 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.99480 167.3
[M+Na]+ 345.97674 174.3
[M-H]- 321.98024 171.2
[M+NH4]+ 341.02134 182.9
[M+K]+ 361.95068 167.0
[M+H-H2O]+ 305.98478 161.7
[M+HCOO]- 367.98572 169.2
[M+CH3COO]- 382.00137 205.2
[M+Na-2H]- 343.96219 167.0
[M]+ 322.98697 171.6
[M]- 322.98807 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.